6DPX
X-ray crystal structure of AmpC beta-lactamase with inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-10-11 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.11583 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 98.018, 77.697, 115.945 |
Unit cell angles | 90.00, 113.34, 90.00 |
Refinement procedure
Resolution | 58.277 - 1.900 |
R-factor | 0.173 |
Rwork | 0.171 |
R-free | 0.20370 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ke4 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.855 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.32) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.760 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.053 | 0.358 |
Rmeas | 0.058 | 0.402 |
Rpim | 0.023 | 0.177 |
Number of reflections | 60738 | 2863 |
<I/σ(I)> | 19.6 | |
Completeness [%] | 96.4 | 71.1 |
Redundancy | 6.4 | 5 |
CC(1/2) | 0.999 | 0.865 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 294 | 1.7M potassium phosphate, pH 8.7 |